5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid

C13H10N2O4 — CID 117398764

IUPAC5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc2[nH]ccc2c1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H10N2O4/c1-18-10-3-2-8-7(4-5-14-8)12(10)11-6-9(13(16)17)15-19-11/h2-6,14H,1H3,(H,16,17)
InChIKeyBPWDJNLYSDTTIF-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.53
Rot. Bonds3

About 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid

5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117398764) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117398764
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc2[nH]ccc2c1-c1cc(C(=O)O)no1
InChIInChI=1S/C13H10N2O4/c1-18-10-3-2-8-7(4-5-14-8)12(10)11-6-9(13(16)17)15-19-11/h2-6,14H,1H3,(H,16,17)
InChIKeyBPWDJNLYSDTTIF-UHFFFAOYSA-N
XLogP2.53
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(5-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117411816
5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 117435468
5-(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117406628
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid (CID 117398764) is 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid is COc1ccc2[nH]ccc2c1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is BPWDJNLYSDTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-18-10-3-2-8-7(4-5-14-8)12(10)11-6-9(13(16)17)15-19-11/h2-6,14H,1H3,(H,16,17).
What are the key properties of 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117398764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).